2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]butanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]butyronitrile Formula: C22H15N7OS MolecularWeight: 425.4658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)C(=C4NC5=CC=CC=C5N4)C#N

InChI

InChI=1S/C22H15N7OS/c23-10-15(20-27-17-8-4-5-9-18(17)28-20)19(30)12-31-22-16-11-26-29(21(16)24-13-25-22)14-6-2-1-3-7-14/h1-9,11,13,27-28H,12H2